1-oxaspiro[4.4]nonan-3-amine

C8H15NO — CID 44827707

IUPAC1-oxaspiro[4.4]nonan-3-amine
SMILESNC1COC2(CCCC2)C1
InChIInChI=1S/C8H15NO/c9-7-5-8(10-6-7)3-1-2-4-8/h7H,1-6,9H2
InChIKeyLTYSMVXAJZQBNP-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.05
Rot. Bonds

About 1-oxaspiro[4.4]nonan-3-amine

1-oxaspiro[4.4]nonan-3-amine (PubChem CID 44827707) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-oxaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name1-oxaspiro[4.4]nonan-3-amine
PubChem CID44827707
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-oxaspiro[4.4]nonan-3-amine
SMILESNC1COC2(CCCC2)C1
InChIInChI=1S/C8H15NO/c9-7-5-8(10-6-7)3-1-2-4-8/h7H,1-6,9H2
InChIKeyLTYSMVXAJZQBNP-UHFFFAOYSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]nonan-3-amine?
The IUPAC name of 1-oxaspiro[4.4]nonan-3-amine (CID 44827707) is 1-oxaspiro[4.4]nonan-3-amine.
What is the SMILES notation for 1-oxaspiro[4.4]nonan-3-amine?
The canonical SMILES for 1-oxaspiro[4.4]nonan-3-amine is NC1COC2(CCCC2)C1.
What is the InChIKey of 1-oxaspiro[4.4]nonan-3-amine?
The InChIKey is LTYSMVXAJZQBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-7-5-8(10-6-7)3-1-2-4-8/h7H,1-6,9H2.
What are the key properties of 1-oxaspiro[4.4]nonan-3-amine?
1-oxaspiro[4.4]nonan-3-amine has a molecular weight of 141.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 44827707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).